2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide

C16H12Cl2F2N2OS — CID 122330998

IUPAC2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2F2N2OS/c17-9-1-2-13(14(18)5-9)15-22(3-4-24-15)16(23)21-12-7-10(19)6-11(20)8-12/h1-2,5-8,15H,3-4H2,(H,21,23)
InChIKeyXMOBKDRILJUWOR-UHFFFAOYSA-N
MW389.25 g/mol
LogP5.55
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide

2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122330998) has the molecular formula C16H12Cl2F2N2OS and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122330998
Molecular FormulaC16H12Cl2F2N2OS
Molecular Weight389.25 g/mol
Exact Mass388.00
IUPAC Name2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2F2N2OS/c17-9-1-2-13(14(18)5-9)15-22(3-4-24-15)16(23)21-12-7-10(19)6-11(20)8-12/h1-2,5-8,15H,3-4H2,(H,21,23)
InChIKeyXMOBKDRILJUWOR-UHFFFAOYSA-N
XLogP5.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.25
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606
2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 122331003
2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3418424
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
2-(2,4-dichlorophenyl)-N-[2-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 122331018
(2R)-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7414393
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
CID 122331063
N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 3381826
(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7301691
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025765
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 122330998) is 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1cc(F)cc(F)c1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is XMOBKDRILJUWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F2N2OS/c17-9-1-2-13(14(18)5-9)15-22(3-4-24-15)16(23)21-12-7-10(19)6-11(20)8-12/h1-2,5-8,15H,3-4H2,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide?
2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 389.25 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122330998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).